[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone

C23H29NO4 — CID 131946602

IUPAC[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCCN1C(=O)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-26-17-5-7-19-6-3-4-16-24(19)23(25)18-8-10-21(11-9-18)28-22-14-12-20(27-2)13-15-22/h8-15,19H,3-7,16-17H2,1-2H3
InChIKeySVSRUZXBVORGOR-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.91
Rot. Bonds8

About [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone

[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 131946602) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID131946602
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCCN1C(=O)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29NO4/c1-26-17-5-7-19-6-3-4-16-24(19)23(25)18-8-10-21(11-9-18)28-22-14-12-20(27-2)13-15-22/h8-15,19H,3-7,16-17H2,1-2H3
InChIKeySVSRUZXBVORGOR-UHFFFAOYSA-N
XLogP4.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 63767656
[2-(bromomethyl)azepan-1-yl]-(4-methoxyphenyl)methanone
CID 116639403
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97113189
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 131946602) is [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCCC1CCCCN1C(=O)c1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is SVSRUZXBVORGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-26-17-5-7-19-6-3-4-16-24(19)23(25)18-8-10-21(11-9-18)28-22-14-12-20(27-2)13-15-22/h8-15,19H,3-7,16-17H2,1-2H3.
What are the key properties of [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 383.49 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 131946602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).